N-(3-{4-[(2-methoxyethyl)amino]piperidin-1-yl}phenyl)-4-phenylbutanamide

• ChemBase ID: 710589
• Molecular Formular: C24H33N3O2
• Molecular Mass: 395.53772
• Monoisotopic Mass: 395.25727731
• SMILES: N1(c2cc(NC(=O)CCCc3ccccc3)ccc2)CCC(CC1)NCCOC
• Canonical SMILES: COCCNC1CCN(CC1)c1cccc(c1)NC(=O)CCCc1ccccc1
• InChI: InChI=1S/C24H33N3O2/c1-29-18-15-25-21-13-16-27(17-14-21)23-11-6-10-22(19-23)26-24(28)12-5-9-20-7-3-2-4-8-20/h2-4,6-8,10-11,19,21,25H,5,9,12-18H2,1H3,(H,26,28)
• InChIKey: BNGWJRFGKIQLKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{4-[(2-methoxyethyl)amino]piperidin-1-yl}phenyl)-4-phenylbutanamide
• IUPAC Traditional name: N-(3-{4-[(2-methoxyethyl)amino]piperidin-1-yl}phenyl)-4-phenylbutanamide
• Synonyms: N-(3-{4-[(2-methoxyethyl)amino]-1-piperidinyl}phenyl)-4-phenylbutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105568
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.43673125
• LogD (pH = 7.4): 1.3554891
• Log P: 3.6392598
• Molar Refractivity: 120.4734 cm^3
• Polarizability: 45.861076 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.3
• LOG S: -5.28
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 9